2-(5-bromothiophen-2-yl)-4,6-dithiophen-2-yl-1H-thieno[3,4-d]imidazole

C17H9BrN2S4 — CID 101225417

IUPAC2-(5-bromothiophen-2-yl)-4,6-dithiophen-2-yl-1H-thieno[3,4-d]imidazole
SMILESBrc1ccc(-c2nc3c(-c4cccs4)sc(-c4cccs4)c3[nH]2)s1
InChIInChI=1S/C17H9BrN2S4/c18-12-6-5-11(23-12)17-19-13-14(20-17)16(10-4-2-8-22-10)24-15(13)9-3-1-7-21-9/h1-8H,(H,19,20)
InChIKeyCQHSYYHSSZJZTA-UHFFFAOYSA-N
MW449.45 g/mol
LogP7.57
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-4,6-dithiophen-2-yl-1H-thieno[3,4-d]imidazole

2-(5-bromothiophen-2-yl)-4,6-dithiophen-2-yl-1H-thieno[3,4-d]imidazole (PubChem CID 101225417) has the molecular formula C17H9BrN2S4 and a molecular weight of 449.45 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-4,6-dithiophen-2-yl-1H-thieno[3,4-d]imidazole.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-4,6-dithiophen-2-yl-1H-thieno[3,4-d]imidazole
PubChem CID101225417
Molecular FormulaC17H9BrN2S4
Molecular Weight449.45 g/mol
Exact Mass447.88
IUPAC Name2-(5-bromothiophen-2-yl)-4,6-dithiophen-2-yl-1H-thieno[3,4-d]imidazole
SMILESBrc1ccc(-c2nc3c(-c4cccs4)sc(-c4cccs4)c3[nH]2)s1
InChIInChI=1S/C17H9BrN2S4/c18-12-6-5-11(23-12)17-19-13-14(20-17)16(10-4-2-8-22-10)24-15(13)9-3-1-7-21-9/h1-8H,(H,19,20)
InChIKeyCQHSYYHSSZJZTA-UHFFFAOYSA-N
XLogP7.57
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.45
LogP ≤ 57.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dibromo-5,7-dithiophen-2-ylthieno[3,4-b]pyrazine
CID 71722248
2-(1-adamantyl)-4,6-dithiophen-2-yl-1H-thieno[3,4-d]imidazole
CID 101225413
4,6-dithiophen-2-yl-1H-thieno[3,4-d]triazole
CID 100936204
2-(5-bromothiophen-2-yl)-4-methylsulfonyl-1H-benzimidazole
CID 82007684
2,3-diethoxy-5,7-dithiophen-2-ylthieno[3,4-b]pyrazine
CID 102108621
4-fluoro-2-thiophen-2-yl-1H-benzimidazole
CID 60978499
2-(5-bromothiophen-2-yl)-5-thiophen-2-ylfuran
CID 10781309
5,7-bis(5-bromothiophen-2-yl)-2,3-dihexylthieno[3,4-b]pyrazine
CID 102456583
4,7-bis(5-bromothiophen-2-yl)-2,1,3-benzothiadiazole-5,6-diamine;4,7-dithiophen-2-yl-2,1,3-benzothiadiazole-5,6-diamine
CID 157485731
2-(5-bromothiophen-2-yl)-7-methyl-1H-imidazo[4,5-b]pyridine
CID 63723168
2-methyl-5-thiophen-2-ylthiophene;propane
CID 142257628
1-(7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)ethanone
CID 143935646

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-4,6-dithiophen-2-yl-1H-thieno[3,4-d]imidazole?
The IUPAC name of 2-(5-bromothiophen-2-yl)-4,6-dithiophen-2-yl-1H-thieno[3,4-d]imidazole (CID 101225417) is 2-(5-bromothiophen-2-yl)-4,6-dithiophen-2-yl-1H-thieno[3,4-d]imidazole.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-4,6-dithiophen-2-yl-1H-thieno[3,4-d]imidazole?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-4,6-dithiophen-2-yl-1H-thieno[3,4-d]imidazole is Brc1ccc(-c2nc3c(-c4cccs4)sc(-c4cccs4)c3[nH]2)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-4,6-dithiophen-2-yl-1H-thieno[3,4-d]imidazole?
The InChIKey is CQHSYYHSSZJZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9BrN2S4/c18-12-6-5-11(23-12)17-19-13-14(20-17)16(10-4-2-8-22-10)24-15(13)9-3-1-7-21-9/h1-8H,(H,19,20).
What are the key properties of 2-(5-bromothiophen-2-yl)-4,6-dithiophen-2-yl-1H-thieno[3,4-d]imidazole?
2-(5-bromothiophen-2-yl)-4,6-dithiophen-2-yl-1H-thieno[3,4-d]imidazole has a molecular weight of 449.45 g/mol, XLogP of 7.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-4,6-dithiophen-2-yl-1H-thieno[3,4-d]imidazole is sourced from PubChem (CID 101225417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).